Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 4
Ligand
BDBM50356254
Substrate
n/a
Meas. Tech.
ChEMBL_774916 (CHEMBL1913361)
EC50
3100±n/a nM
Citation
 Urbano, M; Guerrero, M; Velaparthi, S; Crisp, M; Chase, P; Hodder, P; Schaeffer, MT; Brown, S; Rosen, H; Roberts, E Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype. Bioorg Med Chem Lett 21:6739-45 (2011) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 4
Synonyms:
EDG6 | Endothelial differentiation G-protein coupled receptor 6 | S1P receptor 4 | S1P receptor Edg-6 | S1P4 | S1PR4 | S1PR4_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor Edg-6 | Sphingosine-1-phosphate receptor 4 | sphingosine-1-phosphate 4 S1P4
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
41647.39
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
384
Sequence:
MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
  
Inhibitor
Name:
BDBM50356254
Synonyms:
CHEMBL1910685
Type:
Small organic molecule
Emp. Form.:
C17H17FN4OS
Mol. Mass.:
344.406
SMILES:
C\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ncccc2F)C(=O)N1C |(-7.51,5.2,;-5.97,5.2,;-5.05,3.96,;-5.52,2.49,;-4.27,1.59,;-4.25,.05,;-5.58,-.73,;-7.12,-.74,;-7.59,-2.2,;-9.06,-2.68,;-6.34,-3.11,;-5.1,-2.19,;-3.77,-2.96,;-6.33,-4.65,;-5,-5.41,;-4.99,-6.96,;-6.33,-7.74,;-7.67,-6.97,;-7.66,-5.42,;-9,-4.65,;-3.03,2.51,;-1.56,2.05,;-3.51,3.97,;-2.62,5.22,)|
Structure:
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